Chemical ID: 6000894

Cc1cnc(s1)NC(=O)CNCC=C
Chemical ID:
6000894
Name [?]:
2-allylamino-N-(5-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CNCC=C
InChi [?]:
InChI=1/C9H13N3OS/c1-3-4-10-6-8(13)12-9-11-5-7(2)14-9/h3,5,10H,1,4,6H2,2H3,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:14,1,13,12,3,10,2,8,5,11,4,7,9,6/rA:14nCCCNCSNCOCNCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N3OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.75798
Area:412.61
Solvation:-3.55728
Coulombic:-34.0666
Bond Count [?]
All:14
Single:10
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.285
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.4
LogP (Chemaxon):0.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue